N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide

C13H28N2O — CID 89022443

IUPACN-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCCCN)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-11(2)12(16)15(13(3,4)5)10-8-7-9-14/h11H,6-10,14H2,1-5H3
InChIKeyYGHYEMRBTHHOHL-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.40
Rot. Bonds6

About N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide

N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide (PubChem CID 89022443) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide
PubChem CID89022443
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCCCN)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-11(2)12(16)15(13(3,4)5)10-8-7-9-14/h11H,6-10,14H2,1-5H3
InChIKeyYGHYEMRBTHHOHL-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide
CID 43136751
N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide
CID 58434930
N-(3-aminopropyl)-N-cyclohexyl-2-methylbutanamide
CID 43136859
N-(3-aminopropyl)-N-tert-butylcarbamate
CID 86608743
ethyl 3-[5-[3-aminopropyl-[(2S)-2-methylbutanoyl]amino]pentyl-[(2S)-2-methylbutanoyl]amino]propanoate
CID 10598603
11-amino-3-methylundecan-4-one
CID 176580818
2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
CID 79268237
3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid
CID 61159547
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
N-(5-aminopentyl)-N,3-dimethylpentanamide
CID 107206770
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide
CID 155707433

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide?
The IUPAC name of N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide (CID 89022443) is N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide.
What is the SMILES notation for N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide?
The canonical SMILES for N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide is CCC(C)C(=O)N(CCCCN)C(C)(C)C.
What is the InChIKey of N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide?
The InChIKey is YGHYEMRBTHHOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-11(2)12(16)15(13(3,4)5)10-8-7-9-14/h11H,6-10,14H2,1-5H3.
What are the key properties of N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide?
N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide is sourced from PubChem (CID 89022443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).